2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid

C12H12FNO4 — CID 115062355

IUPAC2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid
SMILESO=C1COC(Cc2ccccc2F)C(C(=O)O)N1
InChIInChI=1S/C12H12FNO4/c13-8-4-2-1-3-7(8)5-9-11(12(16)17)14-10(15)6-18-9/h1-4,9,11H,5-6H2,(H,14,15)(H,16,17)
InChIKeyUTDLGJSGKCZSQJ-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.34
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid

2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid (PubChem CID 115062355) has the molecular formula C12H12FNO4 and a molecular weight of 253.23 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid
PubChem CID115062355
Molecular FormulaC12H12FNO4
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid
SMILESO=C1COC(Cc2ccccc2F)C(C(=O)O)N1
InChIInChI=1S/C12H12FNO4/c13-8-4-2-1-3-7(8)5-9-11(12(16)17)14-10(15)6-18-9/h1-4,9,11H,5-6H2,(H,14,15)(H,16,17)
InChIKeyUTDLGJSGKCZSQJ-UHFFFAOYSA-N
XLogP0.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid (CID 115062355) is 2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid is O=C1COC(Cc2ccccc2F)C(C(=O)O)N1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid?
The InChIKey is UTDLGJSGKCZSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4/c13-8-4-2-1-3-7(8)5-9-11(12(16)17)14-10(15)6-18-9/h1-4,9,11H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid?
2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid has a molecular weight of 253.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-oxomorpholine-3-carboxylic acid is sourced from PubChem (CID 115062355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).